Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Renata A. Kwiecień"'
Autor:
Richard J. Robins, Emilie Pihan, Jean-Yves Le Questel, Anaïs Roussel, Marcel Delaforge, Jacques Lebreton, François André, Renata A. Kwiecień, Piotr Paneth, Anaïs Fournial
Publikováno v:
The Journal of Physical Chemistry B. 116:7827-7840
The oxidation of (2'S)-nicotine in the active site of human cytochrome P450 2A6 has been subjected to a detailed analysis by theoretical quantum mechanical/molecular mechanical (QM/MM) calculations linked with a theoretical and experimental study of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::804eb27db131d7309f2f78491b601423
https://doi.org/10.1021/jp304276v
https://doi.org/10.1021/jp304276v
Autor:
Katarzyna Kosieradzka, Jean-Yves Le Questel, Anaïs Fournial, Marcel Delaforge, Renata A. Kwiecień, Piotr Paneth, Jacques Lebreton, Richard J. Robins, Emmanuel Gentil
Publikováno v:
ChemCatChem. 4:530-539
An approach combining experimental kinetic isotope effects (KIEs) and quantum chemistry calculations at the DFT level was used to explore the mechanism by which the C?N bond of the bicyclic amine nortropine (2) was cleaved during the catabolism of tr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2f2797df6b1d7dff80bfd084e9323788
https://doi.org/10.1002/cctc.201100386
https://doi.org/10.1002/cctc.201100386
Autor:
Virginie Silvestre, Piotr Paneth, Renata A. Kwiecień, Richard J. Robins, Roland Molinié, Jacques Lebreton
Publikováno v:
Archives of Biochemistry and Biophysics. 510:35-41
(15)N heavy isotope effects are especially useful when detail is sought pertaining to the reaction mechanism for the cleavage of a C-N bond. Their potential in assisting to describe the mechanism of N-demethylation of tertiary amines by the action of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::549e56a441c628a5f0e5a74122fb8682
https://doi.org/10.1016/j.abb.2011.03.007
https://doi.org/10.1016/j.abb.2011.03.007
Publikováno v:
Rapid Communications in Mass Spectrometry. 23:4031-4037
N-Demethylation of tropine is an important step in the degradation of this compound and related metabolites. With the purpose of understanding the reaction mechanism(s) involved, it is desirable to measure the 15N kinetic isotope effects (KIEs), whic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f569b32e01cfba2e49231859b27a0a8d
https://doi.org/10.1002/rcm.4344
https://doi.org/10.1002/rcm.4344
Autor:
Ben-Li Zhang, Virginie Silvestre, Renata A. Kwiecień, Youssef Nemmaoui, Farouk Ayadi, Richard J. Robins
Publikováno v:
Archives of Biochemistry and Biophysics. 482:42-51
Different members of the alcohol oxidoreductase family can transfer the hydride of NAD(P)H to either the re- or the si-face of the substrate. The enantioselectivity of transfer is very variable, even for a range of substrates reduced by the same enzy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fad24c6c56d933b9ef05436028de4413
https://doi.org/10.1016/j.abb.2008.11.019
https://doi.org/10.1016/j.abb.2008.11.019
Autor:
Richard J. Robins, Wilfried Hatton, Renata A. Kwiecień, Roland Molinié, Jacques Lebreton, Piotr Paneth
Publikováno v:
Archives of Biochemistry and Biophysics. 458:175-183
Heavy-atom isotope effects for the N-demethylation of nicotine have been determined in vivo in static-phase biosynthetically incompetent plant cell cultures of Nicotiana species. A (2)H kinetic isotope effect of 0.587 and a (15)N kinetic isotope effe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6f40b8d6e966482e1bd68355e4fcc35
https://doi.org/10.1016/j.abb.2006.12.013
https://doi.org/10.1016/j.abb.2006.12.013
Autor:
Renata A. Kwiecień, Marek Rózalski, Peter Mayer, Urszula Krajewska, Magdalena Małecka, Piotr Paneth, Ingo-Peter Lorenz, Elzbieta Budzisz
Publikováno v:
Inorganic Chemistry. 45:9688-9695
We report the influence of the substituent at the N atom of the ligands on the synthesis, biological activity, and stability of Pd(II) complexes of the general formula PdL(2). The compounds adopt a cis or trans configuration with respect to the subst
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a82d52674b9fac723282ce1f8a2da050
https://doi.org/10.1021/ic0605569
https://doi.org/10.1021/ic0605569
Publikováno v:
Rapid communications in mass spectrometry : RCM. 23(24)
N-Demethylation of tropine is an important step in the degradation of this compound and related metabolites. With the purpose of understanding the reaction mechanism(s) involved, it is desirable to measure the 15N kinetic isotope effects (KIEs), whic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::3236484b074359d6322991fb60f58cef
https://pubmed.ncbi.nlm.nih.gov/19924779
https://pubmed.ncbi.nlm.nih.gov/19924779
Autor:
Gérald S. Remaud, Donald A. MacKenzie, Christine Blumenstein, Eliot P. Botosoa, Renata A. Kwiecień, Virginie Silvestre, Richard J. Robins
Publikováno v:
Analytical biochemistry. 393(2)
Isotope fractionation is a powerful technique by which to probe the reaction mechanism of enzymes. The effect of a heavy isotope on the reaction energetics can be used to predict transition state architecture and reaction mechanism. In order to exami
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe3be1251df0be5fb6d1184470b21da7
https://pubmed.ncbi.nlm.nih.gov/19563771
https://pubmed.ncbi.nlm.nih.gov/19563771
Publikováno v:
Challenges and Advances in Computational Chemistry and Physics ISBN: 9781402053719
Isotope effects provide a powerful tool for learning structures of transition states, species that are not amenable for direct observation. In the case of enzymatic processes, however, their application for the purpose of transition state structure e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5d1dd292886080bf1d36bdf30be0d95d
https://doi.org/10.1007/1-4020-5372-x_7
https://doi.org/10.1007/1-4020-5372-x_7
